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Information card for entry 4350031
Preview
Coordinates | 4350031.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C9 H24 Bi Br6 N3 |
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Calculated formula | C9 H24 Bi Br6 N3 |
SMILES | [Bi]([Br-])([Br-])(Br)([Br-])(Br)Br.[NH3+]C1CC1.[NH3+]C1CC1.C1(CC1)[NH3+] |
Title of publication | Structural phase transition and dielectric anisotropy properties of a lead-free organic‒inorganic hybrid |
Authors of publication | Yang, Tao; Teng, Bing; Han, Shiguo; Li, Maofan; Xu, Zhiyun; Li, Yaobin; Liu, Yi; Luo, Junhua; Sun, Zhihua |
Journal of publication | Inorganic Chemistry Frontiers |
Year of publication | 2019 |
Journal volume | 6 |
Journal issue | 7 |
Pages of publication | 1761 |
a | 29.2975 ± 0.0013 Å |
b | 8.137 ± 0.0003 Å |
c | 22.1923 ± 0.0009 Å |
α | 90° |
β | 126.24 ± 0.001° |
γ | 90° |
Cell volume | 4267 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0283 |
Residual factor for significantly intense reflections | 0.0228 |
Weighted residual factors for significantly intense reflections | 0.0575 |
Weighted residual factors for all reflections included in the refinement | 0.0711 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.16 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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